7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride

C14H31ClN2O2 — CID 119803209

IUPAC7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride
SMILESCOC(C)(C)CC(C)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H30N2O2.ClH/c1-12(11-14(2,3)18-4)16-13(17)9-7-5-6-8-10-15;/h12H,5-11,15H2,1-4H3,(H,16,17);1H
InChIKeyMNXZQLCXTSLHFS-UHFFFAOYSA-N
MW294.87 g/mol
LogP2.64
Rot. Bonds10

About 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride

7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride (PubChem CID 119803209) has the molecular formula C14H31ClN2O2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride
PubChem CID119803209
Molecular FormulaC14H31ClN2O2
Molecular Weight294.87 g/mol
Exact Mass294.21
IUPAC Name7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride
SMILESCOC(C)(C)CC(C)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H30N2O2.ClH/c1-12(11-14(2,3)18-4)16-13(17)9-7-5-6-8-10-15;/h12H,5-11,15H2,1-4H3,(H,16,17);1H
InChIKeyMNXZQLCXTSLHFS-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-methoxy-4-methylpentan-2-yl)butanamide
CID 119334828
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699
7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
CID 119796530
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
N-(6-aminohexan-2-yl)octanamide
CID 123172105
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
CID 173238206
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
N-(4-aminobutan-2-yl)octanamide
CID 62087208
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride (CID 119803209) is 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride is COC(C)(C)CC(C)NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride?
The InChIKey is MNXZQLCXTSLHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2.ClH/c1-12(11-14(2,3)18-4)16-13(17)9-7-5-6-8-10-15;/h12H,5-11,15H2,1-4H3,(H,16,17);1H.
What are the key properties of 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride?
7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride has a molecular weight of 294.87 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride is sourced from PubChem (CID 119803209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).